Predicting Protein-Ligand Binding Structure Using E(n) Equivariant Graph Neural Networks
A. Dhakal, R. Gyawali, J. Cheng
The paper introduces an E(n) Equivariant Graph Neural Network to predict ligand-protein binding structures, showing promising results for drug design.
bioRxiv · Aug 6, 2023 · PreprintBiochemistry